propan-2-yl 2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C19H23BrN4O5S MolecularWeight: 499.37872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C19H23BrN4O5S/c1-9(2)29-19(26)15-12-6-5-10(3)7-13(12)30-18(15)21-14(25)8-23-11(4)16(20)17(22-23)24(27)28/h9-10H,5-8H2,1-4H3,(H,21,25)